1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol

C10H21NO2S — CID 54033445

IUPAC1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol
SMILESOCCSCC(O)CN1CCCCC1
InChIInChI=1S/C10H21NO2S/c12-6-7-14-9-10(13)8-11-4-2-1-3-5-11/h10,12-13H,1-9H2
InChIKeyLHGFHGQQSAPOAC-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.56
Rot. Bonds6

About 1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol

1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol (PubChem CID 54033445) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol
PubChem CID54033445
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol
SMILESOCCSCC(O)CN1CCCCC1
InChIInChI=1S/C10H21NO2S/c12-6-7-14-9-10(13)8-11-4-2-1-3-5-11/h10,12-13H,1-9H2
InChIKeyLHGFHGQQSAPOAC-UHFFFAOYSA-N
XLogP0.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Butylthio)-3-piperidin-1-ylpropan-2-ol
CID 2858776
1-(2,2-Dimethylthiomorpholin-4-yl)butan-2-ol
CID 111930096
1-(2,2-Dimethylthiomorpholin-4-yl)propan-2-ol
CID 116406132
1-(Butylsulfanyl)-3-(morpholin-4-YL)propan-2-OL
CID 2859120
trans-4-Piperidinothiolan-3-ol
CID 129792297
cis-4-Piperidinothiolan-3-ol
CID 129792671
1-(Diethylamino)-3-pentylsulfanylpropan-2-ol
CID 3040151
1-(Dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol
CID 3040153
1-Fluoro-3-[4-(methylsulfanyl)piperidin-1-yl]propan-2-ol
CID 165587881
1-(2-Ethylthiomorpholin-4-yl)-3-fluoropropan-2-ol
CID 165587882
1-Fluoro-3-[3-(methylsulfanyl)piperidin-1-yl]propan-2-ol
CID 165600464
1-Octylsulfanyl-3-piperidin-1-ylpropan-2-ol
CID 12585233

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol (CID 54033445) is 1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol is OCCSCC(O)CN1CCCCC1.
What is the InChIKey of 1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol?
The InChIKey is LHGFHGQQSAPOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c12-6-7-14-9-10(13)8-11-4-2-1-3-5-11/h10,12-13H,1-9H2.
What are the key properties of 1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol?
1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol has a molecular weight of 219.35 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 54033445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).